(2S)-3-methyl-2-[2-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[2-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoylamino]butanoate Openeye Name: (2S)-2-[[2-(3-benzyl-4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[2-[[4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]butanoate IUPAC Name: (2S)-2-[[2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-(3-benzyl-2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]-3-methyl-butyrate Formula: C24H24NO6- MolecularWeight: 422.45046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NC(C(C)C)C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](C(C)C)C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C24H25NO6/c1-14(2)22(23(27)28)25-21(26)13-30-17-9-10-18-15(3)19(24(29)31-20(18)12-17)11-16-7-5-4-6-8-16/h4-10,12,14,22H,11,13H2,1-3H3,(H,25,26)(H,27,28)/p-1/t22-/m0/s1